N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine

C15H20N4S — CID 115332686

IUPACN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2cn3ccsc3n2)c1
InChIInChI=1S/C15H20N4S/c1-15(2,3)16-8-12-4-5-18(9-12)10-13-11-19-6-7-20-14(19)17-13/h4-7,9,11,16H,8,10H2,1-3H3
InChIKeyASVJBRSILBSRFD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.13
Rot. Bonds4

About N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 115332686) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID115332686
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2cn3ccsc3n2)c1
InChIInChI=1S/C15H20N4S/c1-15(2,3)16-8-12-4-5-18(9-12)10-13-11-19-6-7-20-14(19)17-13/h4-7,9,11,16H,8,10H2,1-3H3
InChIKeyASVJBRSILBSRFD-UHFFFAOYSA-N
XLogP3.13
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 115334464
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405995
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115334632
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
CID 115332701
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
CID 115690864
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
N-tert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-1-amine
CID 113289512
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-tert-butyl-2-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
CID 83159614
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 115332686) is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccn(Cc2cn3ccsc3n2)c1.
What is the InChIKey of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ASVJBRSILBSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-15(2,3)16-8-12-4-5-18(9-12)10-13-11-19-6-7-20-14(19)17-13/h4-7,9,11,16H,8,10H2,1-3H3.
What are the key properties of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115332686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).